2-amino-4-(6-fluoro-1-methylbenzimidazol-2-yl)phenol

C14H12FN3O — CID 136872115

IUPAC2-amino-4-(6-fluoro-1-methylbenzimidazol-2-yl)phenol
SMILESCn1c(-c2ccc(O)c(N)c2)nc2ccc(F)cc21
InChIInChI=1S/C14H12FN3O/c1-18-12-7-9(15)3-4-11(12)17-14(18)8-2-5-13(19)10(16)6-8/h2-7,19H,16H2,1H3
InChIKeyHPAJFZMZSDSBLR-UHFFFAOYSA-N
MW257.27 g/mol
LogP2.67
Rot. Bonds1

About 2-amino-4-(6-fluoro-1-methylbenzimidazol-2-yl)phenol

2-amino-4-(6-fluoro-1-methylbenzimidazol-2-yl)phenol (PubChem CID 136872115) has the molecular formula C14H12FN3O and a molecular weight of 257.27 g/mol. Its IUPAC name is 2-amino-4-(6-fluoro-1-methylbenzimidazol-2-yl)phenol.

Molecular Properties

Compound Name2-amino-4-(6-fluoro-1-methylbenzimidazol-2-yl)phenol
PubChem CID136872115
Molecular FormulaC14H12FN3O
Molecular Weight257.27 g/mol
Exact Mass257.10
IUPAC Name2-amino-4-(6-fluoro-1-methylbenzimidazol-2-yl)phenol
SMILESCn1c(-c2ccc(O)c(N)c2)nc2ccc(F)cc21
InChIInChI=1S/C14H12FN3O/c1-18-12-7-9(15)3-4-11(12)17-14(18)8-2-5-13(19)10(16)6-8/h2-7,19H,16H2,1H3
InChIKeyHPAJFZMZSDSBLR-UHFFFAOYSA-N
XLogP2.67
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.27
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

Analyze 2-amino-4-(6-fluoro-1-methylbenzimidazol-2-yl)phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-4-(5-fluoro-1-methylbenzimidazol-2-yl)phenol
CID 136872083
2-amino-5-(1-methylbenzimidazol-2-yl)phenol
CID 60835038
4-(1-ethyl-6-fluorobenzimidazol-2-yl)benzene-1,2-diol
CID 136885635
2-(6-fluoro-1-methylbenzimidazol-2-yl)-4-iodoaniline
CID 63111015
3-chloro-2-(6-fluoro-1-methylbenzimidazol-2-yl)aniline
CID 63723607
2-amino-4-(1-propan-2-ylbenzimidazol-2-yl)phenol
CID 136872074
2-(6-fluoro-1-methylbenzimidazol-2-yl)-4-methylthiophen-3-amine
CID 114915475
3-methyl-2-(4-methylphenyl)benzimidazol-5-ol
CID 84700718
2-(4-fluorophenyl)-3-methylbenzimidazole-5-carbonitrile
CID 104712543
4-(1-ethyl-6-fluorobenzimidazol-2-yl)-2-fluoroaniline
CID 63187874
4-(1,6-dimethylbenzimidazol-2-yl)aniline
CID 84628854
2-amino-4-[1-(2-methoxyethyl)benzimidazol-2-yl]phenol
CID 136872120

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(6-fluoro-1-methylbenzimidazol-2-yl)phenol?
The IUPAC name of 2-amino-4-(6-fluoro-1-methylbenzimidazol-2-yl)phenol (CID 136872115) is 2-amino-4-(6-fluoro-1-methylbenzimidazol-2-yl)phenol.
What is the SMILES notation for 2-amino-4-(6-fluoro-1-methylbenzimidazol-2-yl)phenol?
The canonical SMILES for 2-amino-4-(6-fluoro-1-methylbenzimidazol-2-yl)phenol is Cn1c(-c2ccc(O)c(N)c2)nc2ccc(F)cc21.
What is the InChIKey of 2-amino-4-(6-fluoro-1-methylbenzimidazol-2-yl)phenol?
The InChIKey is HPAJFZMZSDSBLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3O/c1-18-12-7-9(15)3-4-11(12)17-14(18)8-2-5-13(19)10(16)6-8/h2-7,19H,16H2,1H3.
What are the key properties of 2-amino-4-(6-fluoro-1-methylbenzimidazol-2-yl)phenol?
2-amino-4-(6-fluoro-1-methylbenzimidazol-2-yl)phenol has a molecular weight of 257.27 g/mol, XLogP of 2.67, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(6-fluoro-1-methylbenzimidazol-2-yl)phenol is sourced from PubChem (CID 136872115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).